1-(furan-2-carbonyl)-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

C22H24N4O3S — CID 16564266

About 1-(furan-2-carbonyl)-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

1-(furan-2-carbonyl)-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide (PubChem CID 16564266) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is 1-(furan-2-carbonyl)-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(furan-2-carbonyl)-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
• PubChem CID: 16564266
• Molecular Formula: C22H24N4O3S
• Molecular Weight: 424.53 g/mol
• Exact Mass: 424.16
• IUPAC Name: 1-(furan-2-carbonyl)-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
• SMILES: CC(C)c1ccc(-c2nnc(NC(=O)C3CCN(C(=O)c4ccco4)CC3)s2)cc1
• InChI: InChI=1S/C22H24N4O3S/c1-14(2)15-5-7-17(8-6-15)20-24-25-22(30-20)23-19(27)16-9-11-26(12-10-16)21(28)18-4-3-13-29-18/h3-8,13-14,16H,9-12H2,1-2H3,(H,23,25,27)
• InChIKey: AHUSLAIBTGLLJQ-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 88.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.53
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-carbonyl)-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?

The IUPAC name of 1-(furan-2-carbonyl)-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide (CID 16564266) is 1-(furan-2-carbonyl)-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide.

What is the SMILES notation for 1-(furan-2-carbonyl)-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?

The canonical SMILES for 1-(furan-2-carbonyl)-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide is CC(C)c1ccc(-c2nnc(NC(=O)C3CCN(C(=O)c4ccco4)CC3)s2)cc1.

What is the InChIKey of 1-(furan-2-carbonyl)-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?

The InChIKey is AHUSLAIBTGLLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-14(2)15-5-7-17(8-6-15)20-24-25-22(30-20)23-19(27)16-9-11-26(12-10-16)21(28)18-4-3-13-29-18/h3-8,13-14,16H,9-12H2,1-2H3,(H,23,25,27).

What are the key properties of 1-(furan-2-carbonyl)-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?

1-(furan-2-carbonyl)-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 424.53 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(furan-2-carbonyl)-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 16564266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).